Chem
J-GLOBAL ID:201207096623137964   Nikkaji number:J3.094.829G

KMI-1842

3-[(2,6-ジオキソ-5-フルオロ-1,2,3,6-テトラヒドロピリミジン-4-イル)カルボニルアミノ]-Ala-Val-Leu-N-(1,1-ジメチル-2-シクロヘキシルエチル)-NH2
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C29H48FN7O6
Molecular formula furigana: C29-H48-F-N7-O6
Molecular weight: 609.744
InChI: InChI=1S/C29H48FN7O6/c1-15(2)12-19(24(39)37-29(5,6)13-17-10-8-7-9-11-17)33-27(42)21(16(3)4)34-23(38)18(31)14-32-26(41)22-20(30)25(40)36-28(43)35-22/h15-19,21H,7-14,31H2,1-6H3,(H,32,41)(H,33,42)(H,34,38)(H,37,39)(H2,35,36,40,43)/t18-,19-,21-/m0/s1
InChI key: CELDFOJHMBYDIN-ZJOUEHCJSA-N
SMILES: CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(C)C)C(=O)NC(C)(C)CC1CCCCC1
Systematic name  (3):
  • 3-[(2,6-ジオキソ-5-フルオロ-1,2,3,6-テトラヒドロピリミジン-4-イル)カルボニルアミノ]-Ala-Val-Leu-N-(1,1-ジメチル-2-シクロヘキシルエチル)-NH2
  • (2S)-2-[(2S)-2-[(2S)-2-アミノ-3-[(5-フルオロ-2,6-ジオキソ-1,2,3,6-テトラヒドロピリミジン-4-イル)ホルムアミド]プロパンアミド]-3-メチルブタンアミド]-N-(1-シクロヘキシル-2-メチルプロパン-2-イル)-4-メチルペンタンアミド
  • (2S)-2-[(2S)-2-[(2S)-2-amino-3-[(5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)formamido]propanamido]-3-methylbutanamido]-N-(1-cyclohexyl-2-methylpropan-2-yl)-4-methylpentanamide
Other name (2):
  • 3-[(2,6-Dioxo-5-fluoro-1,2,3,6-tetrahydropyrimidine-4-yl)carbonylamino]-Ala-Val-Leu-N-(1,1-dimethyl-2-cyclohexylethyl)-NH2
  • KMI-1842
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